input word = C00040865

Metabolite InformationStructural formula
Name Ajugareptansin
(-)-Ajugareptansin
Formula C29H44O10
Mw 552.29344763
CAS RN 72160-84-0
C_ID C00040865 ,
InChIKey YKWBDFBNTYGFFZ-GEBBHFCLNA-N
InChICode InChI=1S/C29H44O10/c1-7-15(2)25(33)38-20-12-21(32)29(14-36-29)28(13-35-17(4)30)23(37-18(5)31)10-16(3)27(6,24(20)28)22-11-19-8-9-34-26(19)39-22/h15-16,19-24,26,32H,7-14H2,1-6H3/t15-,16-,19-,20-,21+,22+,23+,24-,26+,27-,28-,29-/m1/s1
SMILES [C@H]1(C[C@@H]([C@@]2([C@@H]([C@]1([C@@H]1C[C@@H]3[C@H](O1)OCC3)C)[C@@H](C[C@@H]([C@]12OC1)O)OC(=O)[C@H](C)CC)COC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga reptans Ref.
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